[email protected]
CAS 303790-92-3 N,N’-bis(1,3-benzodioxol-5-yl)oxamide molecular structure lightbox
CAS RN: 303790-92-3

N,N’-bis(1,3-benzodioxol-5-yl)oxamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260222 5mg / 10mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS303790-92-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

303790-92-3 / N,N'-bis(1,3-benzodioxol-5-yl)oxamide

Standard CAS: 303790-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
303790-92-3
Multi CAS
No
Molecular Formula
C16H12N2O6
Molecular Weight
328.280000
Exact Mass
328.069536
InChI
InChI=1S/C16H12N2O6/c19-15(17-9-1-3-11-13(5-9)23-7-21-11)16(20)18-10-2-4-12-14(6-10)24-8-22-12/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKey
PYXWANNKJGOAPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
82.39
TPSA
95.12

LogP / Solubility

WLOGP
1.72
MLOGP
1.53
XLogP3
2
Consensus LogP
1.75
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us